5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine

C16H20BrN3O — CID 116776521

IUPAC5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OC)c2ccccc2)nc(C)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-10-18-15-13(17)11(2)19-16(20-15)14(21-3)12-8-6-5-7-9-12/h5-9,14H,4,10H2,1-3H3,(H,18,19,20)
InChIKeyWEGSTFUWCGIEDQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.11
Rot. Bonds6

About 5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 116776521) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID116776521
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OC)c2ccccc2)nc(C)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-10-18-15-13(17)11(2)19-16(20-15)14(21-3)12-8-6-5-7-9-12/h5-9,14H,4,10H2,1-3H3,(H,18,19,20)
InChIKeyWEGSTFUWCGIEDQ-UHFFFAOYSA-N
XLogP4.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 116776623
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325
5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
CID 116776608
5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66296687
5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 113391676
4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine
CID 116745810
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776116
N-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidin-4-amine
CID 116775791
5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole
CID 102618231
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879
5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
CID 66292295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine (CID 116776521) is 5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C(OC)c2ccccc2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is WEGSTFUWCGIEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-10-18-15-13(17)11(2)19-16(20-15)14(21-3)12-8-6-5-7-9-12/h5-9,14H,4,10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116776521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).